N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-[3-(pyridin-3-ylmethoxy)phenyl]acetamide

C21H22N4O2 — CID 166250133

IUPACN-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
SMILESO=C(Cc1cccc(OCc2cccnc2)c1)NCc1cc2n(n1)CCC2
InChIInChI=1S/C21H22N4O2/c26-21(23-14-18-12-19-6-3-9-25(19)24-18)11-16-4-1-7-20(10-16)27-15-17-5-2-8-22-13-17/h1-2,4-5,7-8,10,12-13H,3,6,9,11,14-15H2,(H,23,26)
InChIKeyPQOPDDZNAJWMCB-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.66
Rot. Bonds7

About N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-[3-(pyridin-3-ylmethoxy)phenyl]acetamide

N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-[3-(pyridin-3-ylmethoxy)phenyl]acetamide (PubChem CID 166250133) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-[3-(pyridin-3-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
PubChem CID166250133
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
SMILESO=C(Cc1cccc(OCc2cccnc2)c1)NCc1cc2n(n1)CCC2
InChIInChI=1S/C21H22N4O2/c26-21(23-14-18-12-19-6-3-9-25(19)24-18)11-16-4-1-7-20(10-16)27-15-17-5-2-8-22-13-17/h1-2,4-5,7-8,10,12-13H,3,6,9,11,14-15H2,(H,23,26)
InChIKeyPQOPDDZNAJWMCB-UHFFFAOYSA-N
XLogP2.66
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]amino]ethylsulfanyl]acetic acid
CID 120526650
N-[[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2-(3-hydroxyphenyl)acetamide
CID 118788274
N,N-dimethyl-2-[(3-pyridin-3-ylpropanoylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70786539
3-methoxy-2-methyl-2-[[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]amino]propanoic acid
CID 120531886
N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-pyridin-3-ylpropanamide
CID 70760472
2-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)acetamide
CID 167840631
N,N-dimethyl-2-[[[2-(3-methylphenyl)acetyl]amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70758361
N-[[5-[(3-ethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 118792122
N-[(3-methoxyphenyl)methyl]-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 60525181
2-(2-oxopyrrolidin-1-yl)-N-[(3-phenylmethoxyphenyl)methyl]acetamide
CID 129367971
2-(cyclopropylmethylamino)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 119846170
N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55772208

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-[3-(pyridin-3-ylmethoxy)phenyl]acetamide?
The IUPAC name of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-[3-(pyridin-3-ylmethoxy)phenyl]acetamide (CID 166250133) is N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-[3-(pyridin-3-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-[3-(pyridin-3-ylmethoxy)phenyl]acetamide?
The canonical SMILES for N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-[3-(pyridin-3-ylmethoxy)phenyl]acetamide is O=C(Cc1cccc(OCc2cccnc2)c1)NCc1cc2n(n1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-[3-(pyridin-3-ylmethoxy)phenyl]acetamide?
The InChIKey is PQOPDDZNAJWMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-21(23-14-18-12-19-6-3-9-25(19)24-18)11-16-4-1-7-20(10-16)27-15-17-5-2-8-22-13-17/h1-2,4-5,7-8,10,12-13H,3,6,9,11,14-15H2,(H,23,26).
What are the key properties of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-[3-(pyridin-3-ylmethoxy)phenyl]acetamide?
N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-[3-(pyridin-3-ylmethoxy)phenyl]acetamide has a molecular weight of 362.43 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-[3-(pyridin-3-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 166250133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).